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dc.contributor.authorGauden, P.
dc.contributor.authorTerzyk, A.
dc.contributor.authorFurmaniak, S.
dc.contributor.authorHarris, P.
dc.contributor.authorKowalczyk, Poitr
dc.date.accessioned2017-01-30T10:27:12Z
dc.date.available2017-01-30T10:27:12Z
dc.date.created2014-10-08T02:29:20Z
dc.date.issued2010
dc.identifier.citationGauden, P. and Terzyk, A. and Furmaniak, S. and Harris, P. and Kowalczyk, P. 2010. BET surface area of carbonaceous adsorbents—Verification using geometric considerations and GCMC simulations on virtual porous carbon models. Applied Surface Science. 256 (17): pp. 5204-5209.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/2937
dc.identifier.doi10.1016/j.apsusc.2009.12.097
dc.description.abstract

The applicability of BET model for calculation of surface area of activated carbons is checked by usingmolecular simulations. By calculation of geometric surface areas for the simple model carbon slit-likepore with the increasing width, and by comparison of the obtained values with those for the same systems from the VEGA ZZ package (adsorbate-accessible molecular surface), it is shown that the latter methods provide correct values. For the system where a monolayer inside a pore is created the ASA approach (GCMC, Ar, T = 87 K) underestimates the value of surface area for micropores (especially, where only one layer is observed and/or two layers of adsorbed Ar are formed). Therefore, we propose the modification of this method based on searching the relationship between the pore diameter and the number of layers in a pore. Finally BET; original andmodified ASA; and A, B and C-point surface areas are calculated for a series of virtual porous carbons using simulated Ar adsorption isotherms (GCMC and T = 87 K). The comparison of results shows that the BET method underestimates and not, as it was usually postulated, overestimates the surface areas of microporous carbons.

dc.publisherElsevier BV North-Holland
dc.subjectBET surface area of carbonaceous adsorbents—Verification using geometric - considerations and GCMC simulations on virtual porous carbon models
dc.titleBET surface area of carbonaceous adsorbents—Verification using geometric considerations and GCMC simulations on virtual porous carbon models
dc.typeJournal Article
dcterms.source.volume256
dcterms.source.number17
dcterms.source.startPage5204
dcterms.source.endPage5209
dcterms.source.issn01694332
dcterms.source.titleApplied Surface Science
curtin.accessStatusFulltext not available


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